CHEBI:66945 - 4-nitro-6-oxohepta-2,4-dienedioate

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ChEBI Name 4-nitro-6-oxohepta-2,4-dienedioate ChEBI ID CHEBI:66945 Definition A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 4-nitro-6-oxohepta-2,4-dienedioic acid; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H3NO7 Net Charge -2 Average Mass 213.10120 Monoisotopic Mass 212.99205 InChI InChI=1S/C7H5NO7/c9-5(7(12)13)3-4(8(14)15)1-2-6(10)11/h1-3H,(H,10,11)(H,12,13)/p-2/b2-1+,4-3+ InChIKey WQSLVSOAROUIFS-MVJNYCIBSA-L SMILES [O-]C(=O)\C=C\C(=C/C(=O)C([O-])=O)[N+]([O-])=O ChEBI Ontology Outgoing 4-nitro-6-oxohepta-2,4-dienedioate (CHEBI:66945) is a dicarboxylic acid dianion (CHEBI:28965) 4-nitro-6-oxohepta-2,4-dienedioate (CHEBI:66945) is conjugate base of 4-nitro-6-oxohepta-2,4-dienedioic acid (CHEBI:67104) Incoming 4-nitro-6-oxohepta-2,4-dienedioic acid (CHEBI:67104) is conjugate acid of 4-nitro-6-oxohepta-2,4-dienedioate (CHEBI:66945) IUPAC Name (2E,4E)-4-nitro-6-oxohepta-2,4-dienedioate Synonym Source 4-nitro-6-oxohepta-2,4-dienedioate UniProt Citation Type Source 20081004 PubMed citation SUBMITTER Last Modified 25 December 2012